methyl N-[10-(3-morpholin-4-ylpropanoyl)phenothiazin-2-yl]carbamate;hydrochloride

C21H24ClN3O4S — CID 6603173

IUPACmethyl N-[10-(3-morpholin-4-ylpropanoyl)phenothiazin-2-yl]carbamate;hydrochloride
SMILESCOC(=O)Nc1ccc2c(c1)N(C(=O)CCN1CCOCC1)c1ccccc1S2.Cl
InChIInChI=1S/C21H23N3O4S.ClH/c1-27-21(26)22-15-6-7-19-17(14-15)24(16-4-2-3-5-18(16)29-19)20(25)8-9-23-10-12-28-13-11-23;/h2-7,14H,8-13H2,1H3,(H,22,26);1H
InChIKeyFMPVOFBTCAKTNT-UHFFFAOYSA-N
MW449.96 g/mol
LogP4.14
Rot. Bonds4

About methyl N-[10-(3-morpholin-4-ylpropanoyl)phenothiazin-2-yl]carbamate;hydrochloride

methyl N-[10-(3-morpholin-4-ylpropanoyl)phenothiazin-2-yl]carbamate;hydrochloride (PubChem CID 6603173) has the molecular formula C21H24ClN3O4S and a molecular weight of 449.96 g/mol. Its IUPAC name is methyl N-[10-(3-morpholin-4-ylpropanoyl)phenothiazin-2-yl]carbamate;hydrochloride.

Molecular Properties

Compound Namemethyl N-[10-(3-morpholin-4-ylpropanoyl)phenothiazin-2-yl]carbamate;hydrochloride
PubChem CID6603173
Molecular FormulaC21H24ClN3O4S
Molecular Weight449.96 g/mol
Exact Mass449.12
IUPAC Namemethyl N-[10-(3-morpholin-4-ylpropanoyl)phenothiazin-2-yl]carbamate;hydrochloride
SMILESCOC(=O)Nc1ccc2c(c1)N(C(=O)CCN1CCOCC1)c1ccccc1S2.Cl
InChIInChI=1S/C21H23N3O4S.ClH/c1-27-21(26)22-15-6-7-19-17(14-15)24(16-4-2-3-5-18(16)29-19)20(25)8-9-23-10-12-28-13-11-23;/h2-7,14H,8-13H2,1H3,(H,22,26);1H
InChIKeyFMPVOFBTCAKTNT-UHFFFAOYSA-N
XLogP4.14
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.96
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl N-[10-(3-morpholin-4-ylpropanoyl)phenothiazin-2-yl]carbamate;hydrochloride?
The IUPAC name of methyl N-[10-(3-morpholin-4-ylpropanoyl)phenothiazin-2-yl]carbamate;hydrochloride (CID 6603173) is methyl N-[10-(3-morpholin-4-ylpropanoyl)phenothiazin-2-yl]carbamate;hydrochloride.
What is the SMILES notation for methyl N-[10-(3-morpholin-4-ylpropanoyl)phenothiazin-2-yl]carbamate;hydrochloride?
The canonical SMILES for methyl N-[10-(3-morpholin-4-ylpropanoyl)phenothiazin-2-yl]carbamate;hydrochloride is COC(=O)Nc1ccc2c(c1)N(C(=O)CCN1CCOCC1)c1ccccc1S2.Cl.
What is the InChIKey of methyl N-[10-(3-morpholin-4-ylpropanoyl)phenothiazin-2-yl]carbamate;hydrochloride?
The InChIKey is FMPVOFBTCAKTNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O4S.ClH/c1-27-21(26)22-15-6-7-19-17(14-15)24(16-4-2-3-5-18(16)29-19)20(25)8-9-23-10-12-28-13-11-23;/h2-7,14H,8-13H2,1H3,(H,22,26);1H.
What are the key properties of methyl N-[10-(3-morpholin-4-ylpropanoyl)phenothiazin-2-yl]carbamate;hydrochloride?
methyl N-[10-(3-morpholin-4-ylpropanoyl)phenothiazin-2-yl]carbamate;hydrochloride has a molecular weight of 449.96 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[10-(3-morpholin-4-ylpropanoyl)phenothiazin-2-yl]carbamate;hydrochloride is sourced from PubChem (CID 6603173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).